2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-3677 |
| Compound Name: | 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C28 H31 N3 O3 S |
| Salt: | not_available |
| Smiles: | C1CCc2c(C1)c1C(NC(CN(CC(COCc3ccccc3)O)Cc3ccccc3)=Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4387 |
| logD: | 4.4346 |
| logSw: | -4.4506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.489 |
| InChI Key: | KQURTOAYXDVXEJ-QFIPXVFZSA-N |